Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10746306 | 0.86 | CA12 (0.53) | ALDH1A1CYP1A2CYP2C19HPGDMAPT | |
| SCHEMBL31063385 | 0.80 | ALDH1A1 (0.52) | ALDH1A1RECQLCYP1A2CYP2C19HPGD | |
| SCHEMBL3931086 | 0.80 | ALDH1A1 (0.52) | ALDH1A1RECQLCYP1A2CYP2C19HPGD | |
| SCHEMBL5226607 | 0.76 | CA1 (0.48) | ALDH1A1CYP1A2HPGDMAPTGAA | |
| SCHEMBL10667940 | 0.75 | ALDH1A1 (0.42) | ALDH1A1RECQLCYP1A2CYP2C19HPGD | |
| SCHEMBL29634588 | 0.73 | CA12 (0.65) | ALDH1A1CYP1A2CYP2C19HPGDCYP2D6 | |
| SCHEMBL258418 | 0.73 | CA12 (0.65) | ALDH1A1CYP1A2CYP2C19HPGDCYP2D6 | |
| Isopropylamine SCHEMBL28069314 | 0.73 | HTR2A (0.56) | ALDH1A1CYP2D6MAPTMEN1KMT2A | |
| SCHEMBL5634995 | 0.72 | CA12 (0.62) | ALDH1A1CYP1A2CYP2C19HPGDCYP2D6 | |
| SCHEMBL4291308 | 0.71 | ALDH1A1 (0.46) | ALDH1A1RECQLCYP1A2CYP2C19HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114641477-B | Compounds having inhibitory activity on glucosylceramide synthase or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same | 柳韩洋行 | 2024-03-12 | — | — | CN | disclosed |
| CN-114641477-A | Novel compound having inhibitory activity against glucose ceramide synthase or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition comprising same | 柳韩洋行 | 2022-06-17 | — | — | CN | disclosed |